SCHEMBL21779474

SCHEMBL21779474

CCCCCNC(=O)CCSSCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.61
EPHX2 P34913 7/20 0.58
NAAA Q02083 1/20 0.58
PLA2G2A P14555 1/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
FAAH O00519 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9518772 0.94 CASP2 (0.68) CASP2EPHX2NAAAHPGDMEN1
SCHEMBL9518701 0.93 CASP2 (0.71) CASP2EPHX2NAAAFAAH
SCHEMBL1146790 0.93 CASP2 (0.71) CASP2EPHX2NAAAFAAH
SCHEMBL9502450 0.93 CASP2 (0.71) CASP2EPHX2NAAAFAAH
SCHEMBL2616429 0.89 CASP2 (0.67) CASP2EPHX2NAAASLC6A5FAAH
SCHEMBL12523062 0.89 CASP2 (0.59) CASP2EPHX2NAAAHPGDMEN1
SCHEMBL23253069 0.88 CASP2 (0.56) CASP2EPHX2NAAAPLA2G2AHPGD
SCHEMBL25922800 0.88 CASP2 (0.65) CASP2EPHX2NAAASLC6A5FAAH
SCHEMBL23394708 0.86 CASP2 (0.62) CASP2EPHX2NAAASLC6A5FAAH
SCHEMBL12192205 0.86 CASP2 (0.62) CASP2EPHX2NAAASLC6A5FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808760-A1 COMPOUND COMPRISING SUBSTANCE HAVING AFFINITY FOR ANTIBODY, CLEAVAGE SITE AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2021-04-21 EP disclosed
EP-3617235-A1 COMPOUND HAVING SUBSTANCE THAT HAS AFFINITY FOR SOLUBLE PROTEIN, CLEAVABLE MOIETY, AND REACTIVE GROUP, OR SALT THEREOF Ajinomoto Co., Inc. (JP) 2020-03-04 EP disclosed